2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine

C16H28N2S — CID 79409785

IUPAC2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)N1CCc2sccc2C1C
InChIInChI=1S/C16H28N2S/c1-11(2)17-10-12(3)13(4)18-8-6-16-15(14(18)5)7-9-19-16/h7,9,11-14,17H,6,8,10H2,1-5H3
InChIKeyBYFCEIIYJVCSBF-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.69
Rot. Bonds5

About 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine

2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 79409785) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
PubChem CID79409785
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)N1CCc2sccc2C1C
InChIInChI=1S/C16H28N2S/c1-11(2)17-10-12(3)13(4)18-8-6-16-15(14(18)5)7-9-19-16/h7,9,11-14,17H,6,8,10H2,1-5H3
InChIKeyBYFCEIIYJVCSBF-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpentan-1-amine
CID 83055299
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpropan-1-amine
CID 103225921
N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62427423
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 55011505
N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427908
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427583
N-ethyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 55073629
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
CID 60699752
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethanamine
CID 62428095
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 55011118
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-3-ylethanamine
CID 55011117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine (CID 79409785) is 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)C(C)N1CCc2sccc2C1C.
What is the InChIKey of 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is BYFCEIIYJVCSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11(2)17-10-12(3)13(4)18-8-6-16-15(14(18)5)7-9-19-16/h7,9,11-14,17H,6,8,10H2,1-5H3.
What are the key properties of 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine?
2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79409785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).